acetyl coenzyme A (C2:0) sodium*prepared enzymati
Basic information
- CAS
102029-73-2- Standard SMILES
CC(=O)SCCN=C([O-])CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.[Na+]- InChIKey
HNLIOWFIXSPFEC-WLYMNMRISA-M- Molecular formula
- C23H37N7NaO17P3S
- Average molar mass
- 831.6 g/mol
- Monoisotopic mass
- 831.10771919
Names & identifiers
- Preferred name
- acetyl coenzyme A (C2:0) sodium*prepared enzymati
- IUPAC
- sodium N-(2-acetylsulfanylethyl)-3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanimidate
- English name
- Acetyl coenzyme A sodium salt
- Molecular formula
- C23H38N7O17P3S.3Na
- Molecular weight
- 809.57
Names & synonyms
102029-73-2DTXSID70906989acetyl coenzyme A (C2:0) sodium*prepared enzymatiSodium 5'-O-[{[{4-[(2-{[2-(acetylsulfanyl)ethyl]carboximidato}ethyl)imino]-3,4-dihydroxy-2,2-dimethylbutoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)Sodium 9-{5-O-[{[{4-[(2-{[2-(acetylsulfanyl)ethyl]carboximidato}ethyl)imino]-3,4-dihydroxy-2,2-dimethylbutoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amineACETYL COENZYME Aacetyl coaC2:0Acetyl-Coenzym AAcetyl Coenzyme A trisodiumACETHYL COENZYME A SODIUM SALT90%，powder
Show more names
(HPLC)powderAcetyl-S- CoACoenzyme A Impurity 7
Properties
Computed structural properties
- Topological polar surface area
- 395 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 23
- Rotatable bonds
- 20
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,400
Physicochemical properties
- storage temp.
- -20 °C · -20°C
- solubility
- 2 O: · H2O: 100 mg/mL
- form
- powder
- color
- White to off-white
- Water Solubility
- 2 O: · H2O: 100mg/mL
- InChIKey
- ZSLZBFCDCINBPY-KMYLAXNMSA-N
- SMILES
- [NaH].[NaH].[NaH].O[C@@H]1[C@@H]([C@@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C)O[C@H]1N1C=NC2C(=NC=NC1=2)N)OP(O)(O)=O |&1:4,5,6,21,38,r|
- FDA UNII
- 76 Q83YLO3O · 76Q83YLO3O
- UNSPSC Code
- 41106305 · 41106305
- NACRES
- 51 · NA.51
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 370 · H370
- Precautionary statements
- 260 · P260-P264-P270-P307+P311-P321-P405-P501
- PPE
- 95 · Eyeshields, Faceshields, Gloves, type N95 (US)
- Risk Statements
- 23 · 23/24/25-36/38-39/23/24/25-66-67
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 3-10-21
- PPE
- Eyeshields, Faceshields, Gloves, type N95 (US)
- wgk
- 1
- hs_code
- 29349990
- risk_code
- 23/24/25-36/38-39/23/24/25-66-67
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- safety_code
- 24-36/37-45
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H370
- Precautionary statements
- P260-P264-P270-P307+P311-P321-P405-P501
Chemistry & industry
Applications
DescriptionAcetyl-coenzyme A (acetyl-CoA), the thioester of CoA and acetic acid, is a pivotal molecule in biological systems. Foremost, it serves as a source of carbon for the Krebs cycle, for the synthesis of fatty acids, and for isoprenoid-based protein modifications. Acetyl-CoA also serves as an intermediate in oxidation of fatty acids and amino acids and is formed by the oxidative decarboxylation of pyruvate in mitochondria. It is an essential cofactor or substrate for acetyltransferases and acyltransferases, as in the post-translational modification of proteins and in the synthesis of the neurotransmitter acetylcholine.
UsesAcetyl-Coenzyme A is used to assay CAT enzyme activity in cell extracts using radioisotopes. CAT enzyme activity in cell extracts catalyzes the transfer of acetyl groups from acetylcoenzyme A to chloramphenicol. A number of assays have been developed to measure CAT activity in cell extracts. Acetyl-Coenzyme A has also been used to determine citrate synthase activity.
General DescriptionAcetyl-Coenzyme A, trilithium salt
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